3-[3-(1H-benzimidazol-2-ylsulfanyl)propyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[3-(1H-benzimidazol-2-ylsulfanyl)propyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-(1H-benzimidazol-2-ylsulfanyl)propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-(1H-benzimidazol-2-ylthio)propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-(1H-benzimidazol-2-ylsulfanyl)propyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-(1H-benzimidazol-2-ylthio)propyl]-1H-benzimidazol-2-one Formula: C17H16N4OS MolecularWeight: 324.40014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCCCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C17H16N4OS/c22-17-20-14-8-3-4-9-15(14)21(17)10-5-11-23-16-18-12-6-1-2-7-13(12)19-16/h1-4,6-9H,5,10-11H2,(H,18,19)(H,20,22)